[4-[4-[(pent-3-enylamino)methyl]phenyl]phenyl]-phenylmethanone

C25H25NO — CID 67853321

IUPAC[4-[4-[(pent-3-enylamino)methyl]phenyl]phenyl]-phenylmethanone
SMILESCC=CCCNCc1ccc(-c2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C25H25NO/c1-2-3-7-18-26-19-20-10-12-21(13-11-20)22-14-16-24(17-15-22)25(27)23-8-5-4-6-9-23/h2-6,8-17,26H,7,18-19H2,1H3
InChIKeyDFFMNRMAVYSDBJ-UHFFFAOYSA-N
MW355.48 g/mol
LogP5.64
Rot. Bonds8

About [4-[4-[(pent-3-enylamino)methyl]phenyl]phenyl]-phenylmethanone

[4-[4-[(pent-3-enylamino)methyl]phenyl]phenyl]-phenylmethanone (PubChem CID 67853321) has the molecular formula C25H25NO and a molecular weight of 355.48 g/mol. Its IUPAC name is [4-[4-[(pent-3-enylamino)methyl]phenyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[4-[(pent-3-enylamino)methyl]phenyl]phenyl]-phenylmethanone
PubChem CID67853321
Molecular FormulaC25H25NO
Molecular Weight355.48 g/mol
Exact Mass355.19
IUPAC Name[4-[4-[(pent-3-enylamino)methyl]phenyl]phenyl]-phenylmethanone
SMILESCC=CCCNCc1ccc(-c2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C25H25NO/c1-2-3-7-18-26-19-20-10-12-21(13-11-20)22-14-16-24(17-15-22)25(27)23-8-5-4-6-9-23/h2-6,8-17,26H,7,18-19H2,1H3
InChIKeyDFFMNRMAVYSDBJ-UHFFFAOYSA-N
XLogP5.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(4-benzoylphenyl)methylamino]-5-methylhex-4-en-3-one
CID 175053988
[4-[(2-aminoethylamino)methyl]phenyl]-phenylmethanone
CID 155133296
(E)-6-(benzylamino)hex-3-en-2-one
CID 14810114
(E)-N-[(4-methoxyphenyl)methyl]pent-3-en-1-amine
CID 115629053
N,N-dimethyl-4-[[[(E)-pent-3-enyl]amino]methyl]aniline
CID 115629178
3-[(4-acetylphenyl)methylamino]-1-phenylpropan-1-one
CID 71326148
methyl (E)-5-(benzylamino)pent-2-enoate
CID 11085308
N-[2-[(4-phenylphenyl)methylamino]ethyl]acetamide
CID 28684450
phenyl-(4-phenylphenyl)methanone
CID 155775877
[4-[4-(bromomethyl)phenyl]phenyl]-phenylmethanone
CID 19742105
(E)-N-[(4-ethoxyphenyl)methyl]pent-3-en-1-amine
CID 115629115
(E)-N-[(4-phenylthiophen-2-yl)methyl]pent-3-en-1-amine
CID 115629135

Frequently Asked Questions

What is the IUPAC name of [4-[4-[(pent-3-enylamino)methyl]phenyl]phenyl]-phenylmethanone?
The IUPAC name of [4-[4-[(pent-3-enylamino)methyl]phenyl]phenyl]-phenylmethanone (CID 67853321) is [4-[4-[(pent-3-enylamino)methyl]phenyl]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[4-[(pent-3-enylamino)methyl]phenyl]phenyl]-phenylmethanone?
The canonical SMILES for [4-[4-[(pent-3-enylamino)methyl]phenyl]phenyl]-phenylmethanone is CC=CCCNCc1ccc(-c2ccc(C(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of [4-[4-[(pent-3-enylamino)methyl]phenyl]phenyl]-phenylmethanone?
The InChIKey is DFFMNRMAVYSDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO/c1-2-3-7-18-26-19-20-10-12-21(13-11-20)22-14-16-24(17-15-22)25(27)23-8-5-4-6-9-23/h2-6,8-17,26H,7,18-19H2,1H3.
What are the key properties of [4-[4-[(pent-3-enylamino)methyl]phenyl]phenyl]-phenylmethanone?
[4-[4-[(pent-3-enylamino)methyl]phenyl]phenyl]-phenylmethanone has a molecular weight of 355.48 g/mol, XLogP of 5.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(pent-3-enylamino)methyl]phenyl]phenyl]-phenylmethanone is sourced from PubChem (CID 67853321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).